#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4a s LYS 2 N 0.00 0.61 -0.04 3.49 0.00 -1.26 -4.59 119.74 117.95 2k4a s LYS 2 Ca 0.00 1.33 0.22 0.00 0.00 0.00 0.00 55.97 57.53 2k4a s LYS 2 Cb 0.00 0.55 0.41 0.00 0.00 0.00 0.00 37.83 38.79 2k4a s LYS 2 CO 0.00 -0.18 1.17 -0.11 0.00 0.00 0.00 175.35 176.23 2k4a n LEU 3 N 4.98 1.31 0.00 2.77 7.94 -0.29 -3.83 117.00 129.89 2k4a n LEU 3 Ca -0.15 -2.35 0.00 0.00 -1.11 0.00 0.00 56.01 52.40 2k4a n LEU 3 Cb 0.53 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.38 2k4a n LEU 3 CO -0.03 0.67 0.00 0.61 -1.11 0.00 0.00 177.39 177.53 2k4a n GLY 4 N 0.16 2.87 3.28 -3.96 0.00 -0.99 -4.51 105.19 102.04 2k4a n GLY 4 Ca 0.08 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 2k4a n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 5 N 0.00 0.90 -0.10 1.61 1.02 -0.78 -2.23 119.74 120.15 2k4a s LYS 5 Ca 0.00 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.44 2k4a s LYS 5 Cb 0.00 0.39 0.01 0.00 -0.52 0.00 0.00 37.83 37.71 2k4a s LYS 5 CO 0.00 -0.31 -0.16 -1.17 -0.92 0.00 0.00 175.35 172.79 2k4a s LEU 6 N -2.32 1.78 -0.17 3.17 0.20 0.28 0.44 118.68 122.07 2k4a s LEU 6 Ca -0.02 -0.42 -0.17 0.00 0.69 0.00 0.00 54.13 54.21 2k4a s LEU 6 Cb 0.01 -1.09 -0.04 0.00 -0.43 0.00 0.00 46.19 44.64 2k4a s LEU 6 CO -0.06 0.05 0.44 0.00 -0.29 0.00 0.00 176.35 176.49 2k4a s GLN 7 N 0.76 4.24 0.10 1.98 0.00 -0.23 -0.41 119.66 126.10 2k4a s GLN 7 Ca -0.11 0.32 -0.13 0.00 -0.00 0.00 0.00 55.36 55.43 2k4a s GLN 7 Cb -0.16 -3.50 0.02 0.00 0.00 0.00 0.00 33.01 29.38 2k4a s GLN 7 CO 0.02 0.03 0.32 1.52 0.00 0.00 0.00 175.29 177.18 2k4a s TYR 8 N 1.06 -0.07 -0.25 9.60 1.13 -1.10 0.92 117.35 128.63 2k4a s TYR 8 Ca 0.22 -0.25 -0.04 0.00 -1.41 0.00 0.00 57.07 55.60 2k4a s TYR 8 Cb -0.15 0.13 0.09 0.00 -1.10 0.00 0.00 41.96 40.93 2k4a s TYR 8 CO 0.09 -0.62 0.11 -1.54 -2.51 0.00 0.00 175.55 171.08 2k4a s SER 9 N -2.70 3.17 0.22 -0.18 1.04 0.22 -1.80 113.70 113.67 2k4a s SER 9 Ca 0.02 -1.08 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 2k4a s SER 9 Cb 0.02 -0.37 -0.06 0.00 0.10 0.00 0.00 66.02 65.71 2k4a s SER 9 CO -0.10 -0.40 0.50 -0.76 0.98 0.00 0.00 173.24 173.46 2k4a s LEU 10 N 2.06 4.17 0.21 2.42 1.43 0.38 -2.93 118.68 126.42 2k4a s LEU 10 Ca 0.06 0.78 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 2k4a s LEU 10 Cb -0.16 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 2k4a s LEU 10 CO -0.26 -0.07 0.04 -0.62 0.23 0.00 0.00 176.35 175.68 2k4a s ASP 11 N -2.58 1.19 -0.01 2.29 2.15 0.24 0.13 116.67 120.08 2k4a s ASP 11 Ca 0.45 -1.26 0.01 0.00 0.43 0.00 0.00 52.55 52.17 2k4a s ASP 11 Cb -0.11 0.14 0.01 0.00 -0.30 0.00 0.00 42.92 42.66 2k4a s ASP 11 CO 0.24 -0.64 -0.02 -0.72 -0.17 0.00 0.00 175.17 173.87 2k4a s TYR 12 N -3.70 0.28 -0.19 -5.34 1.13 -1.26 0.21 117.35 108.47 2k4a s TYR 12 Ca 0.30 -0.03 -0.02 0.00 -1.41 0.00 0.00 57.07 55.91 2k4a s TYR 12 Cb 0.07 -0.26 -0.00 0.00 -1.10 0.00 0.00 41.96 40.67 2k4a s TYR 12 CO 0.08 -0.05 -0.10 0.34 -2.51 0.00 0.00 175.55 173.31 2k4a s ASP 13 N 0.35 3.92 0.00 -0.18 -1.08 -0.47 -4.93 116.67 114.27 2k4a s ASP 13 Ca -0.03 -0.45 0.27 0.00 -0.52 0.00 0.00 52.55 51.81 2k4a s ASP 13 Cb -0.06 -1.64 0.86 0.00 -1.46 0.00 0.00 42.92 40.62 2k4a s ASP 13 CO -0.01 0.02 1.64 2.22 0.52 0.00 0.00 175.17 179.56 2k4a n PHE 14 N 4.53 0.00 -0.06 -5.34 1.16 -1.26 -1.79 117.46 114.70 2k4a n PHE 14 Ca -0.19 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.33 2k4a n PHE 14 Cb 0.51 -0.20 -0.05 0.00 -1.61 0.00 0.00 39.48 38.12 2k4a n PHE 14 CO 0.00 0.00 0.00 0.37 -1.87 0.00 0.00 176.76 175.26 2k4a h GLN 15 N 0.60 0.00 0.00 3.97 4.15 -1.95 -3.36 115.11 118.53 2k4a h GLN 15 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 2k4a h GLN 15 Cb 0.46 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2k4a h GLN 15 CO 0.00 0.38 -0.45 -2.95 -1.93 0.00 0.00 178.83 173.88 2k4a h ASN 16 N -1.00 0.00 -3.80 -0.69 7.08 -2.01 -3.48 115.58 111.67 2k4a h ASN 16 Ca -0.02 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 53.11 2k4a h ASN 16 Cb 0.44 0.00 0.07 0.00 -2.08 0.00 0.00 38.32 36.75 2k4a h ASN 16 CO -0.01 0.41 -0.30 -3.20 -2.08 0.00 0.00 177.43 172.24 2k4a n ASN 17 N -3.18 -3.45 -3.69 6.14 2.85 -0.74 -4.91 115.26 108.27 2k4a n ASN 17 Ca 0.02 -0.25 -0.11 0.00 -0.11 0.00 0.00 54.58 54.13 2k4a n ASN 17 Cb 0.70 -2.18 -0.06 0.00 1.24 0.00 0.00 39.78 39.48 2k4a n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k4a s GLN 18 N -3.62 0.95 -0.16 1.20 1.03 -0.93 -2.35 119.66 115.78 2k4a s GLN 18 Ca 0.14 -0.61 -0.10 0.00 0.04 0.00 0.00 55.36 54.83 2k4a s GLN 18 Cb -0.02 0.42 -0.05 0.00 0.03 0.00 0.00 33.01 33.39 2k4a s GLN 18 CO 0.26 -0.34 0.18 -0.51 -2.54 0.00 0.00 175.29 172.34 2k4a s LEU 19 N -2.47 4.28 -0.69 2.60 1.43 0.56 -1.37 118.68 123.03 2k4a s LEU 19 Ca -0.00 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.27 2k4a s LEU 19 Cb 0.01 -2.16 0.10 0.00 0.03 0.00 0.00 46.19 44.17 2k4a s LEU 19 CO -0.08 0.24 0.90 -0.22 0.23 0.00 0.00 176.35 177.42 2k4a s LEU 20 N -0.08 4.89 -0.61 1.79 1.98 0.55 0.41 118.68 127.61 2k4a s LEU 20 Ca 0.12 -1.36 -0.21 0.00 -2.89 0.00 0.00 54.13 49.79 2k4a s LEU 20 Cb -0.12 -2.37 0.08 0.00 0.66 0.00 0.00 46.19 44.44 2k4a s LEU 20 CO 0.01 -1.25 0.83 -0.69 -1.89 0.00 0.00 176.35 173.36 2k4a s VAL 21 N 3.28 4.58 -0.24 1.68 1.01 0.58 0.83 120.40 132.11 2k4a s VAL 21 Ca 0.20 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 2k4a s VAL 21 Cb -0.17 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 2k4a s VAL 21 CO 0.05 -1.24 0.05 -0.83 0.00 0.00 0.00 175.10 173.12 2k4a s GLY 22 N 3.52 1.74 -0.11 4.51 0.00 -1.15 0.15 107.32 115.97 2k4a s GLY 22 Ca 0.18 -1.13 -0.00 0.00 0.00 0.00 0.00 44.72 43.77 2k4a s GLY 22 CO 0.09 0.50 -0.10 -0.26 0.00 0.00 0.00 173.10 173.34 2k4a s ILE 23 N 1.56 3.39 -0.07 0.90 -0.00 -0.87 0.69 121.20 126.80 2k4a s ILE 23 Ca 0.06 -0.56 -0.05 0.00 -0.00 0.00 0.00 60.65 60.10 2k4a s ILE 23 Cb -0.15 -2.42 -0.03 0.00 -0.00 0.00 0.00 42.46 39.86 2k4a s ILE 23 CO 0.02 0.54 0.22 0.40 -0.00 0.00 0.00 174.94 176.13 2k4a h ILE 24 N 4.93 0.00 -1.46 8.37 2.04 0.23 -2.82 117.51 128.81 2k4a h ILE 24 Ca -0.35 -0.82 0.26 0.00 1.00 0.00 0.00 64.86 64.95 2k4a h ILE 24 Cb 1.19 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.09 2k4a h ILE 24 CO 0.56 0.00 0.82 0.00 0.00 0.00 0.00 178.15 179.53 2k4a s GLN 25 N -2.16 0.30 -0.07 2.37 -2.07 -1.14 -2.12 119.66 114.77 2k4a s GLN 25 Ca -0.03 -0.12 -0.03 0.00 -1.82 0.00 0.00 55.36 53.37 2k4a s GLN 25 Cb 0.00 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 2k4a s GLN 25 CO 0.08 -0.13 0.06 0.00 -1.32 0.00 0.00 175.29 173.98 2k4a s ALA 26 N -2.40 3.52 -0.13 2.60 0.00 -1.25 -1.07 121.76 123.03 2k4a s ALA 26 Ca 0.10 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.31 2k4a s ALA 26 Cb -0.01 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.49 2k4a s ALA 26 CO -0.04 0.62 -0.22 0.00 0.00 0.00 0.00 175.76 176.12 2k4a s ALA 27 N -1.01 2.25 -0.15 0.00 0.00 0.17 -4.03 121.76 118.99 2k4a s ALA 27 Ca 0.16 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 2k4a s ALA 27 Cb -0.12 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2k4a s ALA 27 CO 0.06 0.07 0.02 0.39 0.00 0.00 0.00 175.76 176.30 2k4a n GLU 28 N 3.89 -1.67 -4.45 0.00 1.02 -0.58 -1.87 120.64 116.98 2k4a n GLU 28 Ca -0.20 1.59 -0.28 0.00 -0.02 0.00 0.00 57.16 58.26 2k4a n GLU 28 Cb 0.52 -3.15 -0.13 0.00 -0.02 0.00 0.00 31.44 28.66 2k4a n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k4a s LEU 29 N -0.85 2.29 0.65 -4.62 1.43 -1.15 -2.35 118.68 114.07 2k4a s LEU 29 Ca 0.01 -0.70 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 2k4a s LEU 29 Cb -0.00 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 2k4a s LEU 29 CO 0.38 0.17 0.83 -2.65 0.23 0.00 0.00 176.35 175.30 2k4a n PRO 30 N 1.11 0.65 -3.35 1.29 -0.02 -1.26 -4.86 135.00 128.56 2k4a n PRO 30 Ca -0.18 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.15 2k4a n PRO 30 Cb 0.53 -2.06 -0.09 0.00 -0.02 0.00 0.00 33.50 31.86 2k4a n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4a s ALA 31 N -1.67 3.49 -0.20 3.55 0.00 -1.26 -4.57 121.76 121.10 2k4a s ALA 31 Ca 0.73 -1.17 0.14 0.00 0.00 0.00 0.00 51.96 51.66 2k4a s ALA 31 Cb -0.39 -2.89 -0.22 0.00 0.00 0.00 0.00 23.12 19.61 2k4a s ALA 31 CO 0.50 -1.15 0.01 -0.11 0.00 0.00 0.00 175.76 175.01 2k4a n LEU 32 N 5.50 0.54 -4.81 0.00 -0.00 -0.48 -4.83 117.00 112.92 2k4a n LEU 32 Ca -0.08 -0.02 -0.34 0.00 -0.00 0.00 0.00 56.01 55.57 2k4a n LEU 32 Cb 0.49 0.23 -0.07 0.00 -0.00 0.00 0.00 43.42 44.07 2k4a n LEU 32 CO 0.42 0.54 0.65 -0.62 -0.00 0.00 0.00 177.39 178.39 2k4a s ASP 33 N -5.50 7.08 0.42 1.96 -1.08 0.61 -4.95 116.67 115.21 2k4a s ASP 33 Ca -0.13 1.74 0.16 0.00 -0.52 0.00 0.00 52.55 53.80 2k4a s ASP 33 Cb 0.06 -2.55 1.05 0.00 -1.46 0.00 0.00 42.92 40.01 2k4a s ASP 33 CO 0.73 -0.26 1.88 -0.03 0.52 0.00 0.00 175.17 178.01 2k4a h MET 34 N 2.35 0.42 -2.05 4.34 1.85 -1.94 -2.72 114.93 117.19 2k4a h MET 34 Ca -0.48 -0.03 -0.14 0.00 -0.61 0.00 0.00 59.70 58.45 2k4a h MET 34 Cb 1.18 -0.10 -0.05 0.00 0.43 0.00 0.00 31.60 33.07 2k4a h MET 34 CO 0.62 0.28 -0.26 0.41 -0.40 0.00 0.00 176.91 177.57 2k4a n GLY 35 N -1.51 2.75 3.43 1.39 0.00 -1.26 -4.71 105.19 105.28 2k4a n GLY 35 Ca 0.17 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 2k4a n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4a n GLY 36 N 2.31 -0.46 0.25 -0.02 0.00 -1.03 -4.84 105.19 101.39 2k4a n GLY 36 Ca 0.31 0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 2k4a n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4a n THR 37 N -3.44 0.00 -3.95 2.61 -2.24 -1.19 -4.83 114.28 101.24 2k4a n THR 37 Ca 0.03 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 2k4a n THR 37 Cb 0.50 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 2k4a n THR 37 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k4a s SER 38 N -1.16 0.18 -0.76 3.42 0.01 -1.25 0.22 113.70 114.36 2k4a s SER 38 Ca 0.02 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.22 2k4a s SER 38 Cb -0.00 0.69 0.32 0.00 0.21 0.00 0.00 66.02 67.24 2k4a s SER 38 CO 0.02 -1.35 1.21 0.47 0.41 0.00 0.00 173.24 173.99 2k4a n ASP 39 N -0.93 5.35 -4.69 2.44 9.92 -1.26 0.70 116.55 128.08 2k4a n ASP 39 Ca -0.03 -3.63 -0.42 0.00 -0.53 0.00 0.00 54.79 50.18 2k4a n ASP 39 Cb 0.61 -0.81 -0.03 0.00 -0.64 0.00 0.00 41.12 40.26 2k4a n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k4a s PRO 40 N -3.51 4.37 -0.05 -0.24 0.04 -1.23 -0.95 135.00 133.43 2k4a s PRO 40 Ca 0.43 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2k4a s PRO 40 Cb 0.22 -3.51 0.02 0.00 0.04 0.00 0.00 34.50 31.27 2k4a s PRO 40 CO -0.10 -0.40 -0.05 1.52 0.04 0.00 0.00 177.00 178.02 2k4a s TYR 41 N 1.91 0.87 -0.14 0.56 -0.85 0.31 -3.76 117.35 116.25 2k4a s TYR 41 Ca 0.57 -0.27 -0.29 0.00 -0.52 0.00 0.00 57.07 56.55 2k4a s TYR 41 Cb -0.26 -0.76 -0.01 0.00 0.38 0.00 0.00 41.96 41.31 2k4a s TYR 41 CO 0.24 -0.23 1.18 0.14 -1.52 0.00 0.00 175.55 175.36 2k4a s VAL 42 N 1.03 4.40 -0.20 -3.49 -7.23 -1.26 0.83 120.40 114.48 2k4a s VAL 42 Ca -0.09 1.70 -0.04 0.00 -1.81 0.00 0.00 61.98 61.74 2k4a s VAL 42 Cb -0.14 -4.09 -0.02 0.00 0.56 0.00 0.00 36.38 32.69 2k4a s VAL 42 CO -0.00 -0.10 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.07 2k4a s LYS 43 N 2.95 3.52 0.01 4.82 -2.85 0.45 -2.54 119.74 126.09 2k4a s LYS 43 Ca 0.52 -0.57 -0.27 0.00 -1.00 0.00 0.00 55.97 54.65 2k4a s LYS 43 Cb -0.21 -3.00 -0.04 0.00 -2.06 0.00 0.00 37.83 32.52 2k4a s LYS 43 CO 0.15 -0.02 0.87 0.14 0.10 0.00 0.00 175.35 176.59 2k4a s VAL 44 N 1.04 4.84 0.35 1.79 -7.23 -0.76 -0.91 120.40 119.52 2k4a s VAL 44 Ca 0.01 1.83 0.03 0.00 -1.81 0.00 0.00 61.98 62.04 2k4a s VAL 44 Cb -0.15 -4.21 -0.05 0.00 0.56 0.00 0.00 36.38 32.53 2k4a s VAL 44 CO 0.01 0.24 0.09 -0.36 -0.31 0.00 0.00 175.10 174.76 2k4a s PHE 45 N 0.62 1.85 0.08 2.82 0.40 0.21 -3.89 117.98 120.08 2k4a s PHE 45 Ca 0.45 -1.09 -0.03 0.00 -0.60 0.00 0.00 56.93 55.66 2k4a s PHE 45 Cb -0.20 -1.20 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 2k4a s PHE 45 CO 0.25 -0.13 0.05 -0.51 0.70 0.00 0.00 175.22 175.57 2k4a s LEU 46 N -3.51 2.05 0.00 -0.37 2.01 -1.26 -2.95 118.68 114.65 2k4a s LEU 46 Ca 0.32 -0.95 0.00 0.00 0.01 0.00 0.00 54.13 53.51 2k4a s LEU 46 Cb 0.06 0.45 0.00 0.00 0.01 0.00 0.00 46.19 46.72 2k4a s LEU 46 CO 0.15 -0.67 0.00 0.00 1.01 0.00 0.00 176.35 176.84 2k4a n LEU 47 N 0.02 0.00 -0.21 1.79 -0.00 -1.22 -4.32 117.00 113.05 2k4a n LEU 47 Ca -0.12 0.00 0.21 0.00 -0.00 0.00 0.00 56.01 56.09 2k4a n LEU 47 Cb 0.62 0.00 0.38 0.00 -0.00 0.00 0.00 43.42 44.41 2k4a n LEU 47 CO 0.27 -1.25 0.67 -2.65 -0.00 0.00 0.00 177.39 174.44 2k4a n PRO 48 N -1.71 -0.03 -0.32 1.47 -0.02 -1.26 0.14 135.00 133.27 2k4a n PRO 48 Ca 0.00 0.84 -0.05 0.00 -2.02 0.00 0.00 63.50 62.28 2k4a n PRO 48 Cb 0.00 -1.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2k4a n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k4a h ASP 49 N 0.00 -1.51 -4.02 2.55 3.58 -1.93 -3.44 116.42 111.64 2k4a h ASP 49 Ca 0.53 0.29 -0.14 0.00 0.42 0.00 0.00 57.03 58.13 2k4a h ASP 49 Cb 1.46 0.74 -0.01 0.00 1.72 0.00 0.00 39.33 43.24 2k4a h ASP 49 CO -0.45 -0.29 -0.17 0.29 -2.88 0.00 0.00 179.24 175.74 2k4a n LYS 50 N -5.42 -2.40 -1.88 0.28 4.76 0.12 -4.83 118.16 108.80 2k4a n LYS 50 Ca 0.06 0.35 -0.35 0.00 -2.87 0.00 0.00 58.31 55.50 2k4a n LYS 50 Cb 0.36 -4.86 -0.02 0.00 -1.84 0.00 0.00 35.03 28.68 2k4a n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k4a n LYS 51 N -2.53 3.66 0.00 1.97 5.02 -1.26 -4.83 118.16 120.19 2k4a n LYS 51 Ca -0.08 -3.21 0.00 0.00 -2.02 0.00 0.00 58.31 52.99 2k4a n LYS 51 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 2k4a n LYS 51 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k4a n LYS 52 N 0.88 0.00 -3.32 1.97 2.85 -1.26 -4.54 118.16 114.74 2k4a n LYS 52 Ca 0.54 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.77 2k4a n LYS 52 Cb 0.36 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.69 2k4a n LYS 52 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2k4a s LYS 53 N -1.13 0.46 -0.03 -1.58 2.20 -1.26 -4.66 119.74 113.74 2k4a s LYS 53 Ca 0.00 0.87 0.01 0.00 -0.36 0.00 0.00 55.97 56.49 2k4a s LYS 53 Cb 0.00 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.50 2k4a s LYS 53 CO 0.00 -0.55 -0.05 0.12 -0.36 0.00 0.00 175.35 174.51 2k4a s PHE 54 N 2.72 0.64 -0.22 4.03 2.19 -1.25 -5.05 117.98 121.03 2k4a s PHE 54 Ca 0.13 -0.15 0.01 0.00 0.33 0.00 0.00 56.93 57.25 2k4a s PHE 54 Cb -0.15 -0.54 0.03 0.00 -1.31 0.00 0.00 43.02 41.06 2k4a s PHE 54 CO -0.18 -0.12 -0.14 -2.00 1.83 0.00 0.00 175.22 174.61 2k4a s GLU 55 N 0.55 2.76 0.67 10.12 2.12 -1.26 -1.83 118.70 131.84 2k4a s GLU 55 Ca -0.07 -1.00 -0.15 0.00 0.36 0.00 0.00 54.97 54.11 2k4a s GLU 55 Cb -0.10 -2.76 0.01 0.00 0.26 0.00 0.00 34.13 31.53 2k4a s GLU 55 CO -0.00 -0.35 1.14 0.95 -0.54 0.00 0.00 175.26 176.46 2k4a s THR 56 N 1.25 2.91 0.20 -1.70 -4.23 -1.05 -4.93 115.64 108.09 2k4a s THR 56 Ca 0.00 0.44 -0.31 0.00 -1.18 0.00 0.00 61.69 60.64 2k4a s THR 56 Cb -0.16 -2.98 -0.11 0.00 1.34 0.00 0.00 72.50 70.59 2k4a s THR 56 CO -0.09 -0.24 1.62 -0.75 -0.54 0.00 0.00 174.62 174.62 2k4a s LYS 57 N -3.96 4.18 0.54 3.99 2.20 -1.26 -4.74 119.74 120.68 2k4a s LYS 57 Ca 0.70 2.47 -0.21 0.00 -0.36 0.00 0.00 55.97 58.57 2k4a s LYS 57 Cb -0.24 -3.11 -0.06 0.00 -1.51 0.00 0.00 37.83 32.91 2k4a s LYS 57 CO 0.42 -0.65 1.05 1.55 -0.36 0.00 0.00 175.35 177.35 2k4a n VAL 58 N 3.66 3.34 -3.95 4.02 3.14 -1.26 -4.82 118.33 122.46 2k4a n VAL 58 Ca 0.13 -0.50 -0.30 0.00 -2.96 0.00 0.00 64.34 60.71 2k4a n VAL 58 Cb 0.37 -1.25 -0.14 0.00 -1.06 0.00 0.00 33.84 31.76 2k4a n VAL 58 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2k4a s HIS 59 N -1.41 3.28 0.20 1.45 0.09 -1.25 -5.02 115.29 112.64 2k4a s HIS 59 Ca 0.71 -2.95 -0.33 0.00 -0.00 0.00 0.00 55.06 52.50 2k4a s HIS 59 Cb -0.45 -2.74 -0.13 0.00 -0.00 0.00 0.00 32.58 29.26 2k4a s HIS 59 CO 0.50 -0.85 1.61 2.89 -0.00 0.00 0.00 174.74 178.89 2k4a n ARG 60 N 3.81 2.42 -3.36 1.40 -4.01 -1.26 -3.48 116.66 112.18 2k4a n ARG 60 Ca 0.04 0.87 -0.35 0.00 -1.04 0.00 0.00 57.85 57.37 2k4a n ARG 60 Cb 0.38 -2.66 0.03 0.00 -3.04 0.00 0.00 32.46 27.17 2k4a n ARG 60 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 2k4a n LYS 61 N 3.32 -1.74 -3.57 2.89 4.76 -0.68 -4.92 118.16 118.22 2k4a n LYS 61 Ca 0.15 1.24 -0.15 0.00 -2.87 0.00 0.00 58.31 56.69 2k4a n LYS 61 Cb 0.32 -1.85 -0.06 0.00 -1.84 0.00 0.00 35.03 31.60 2k4a n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k4a s THR 62 N -1.49 0.00 -0.05 -0.18 -1.32 0.22 -4.80 115.64 108.01 2k4a s THR 62 Ca 0.32 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.87 2k4a s THR 62 Cb -0.03 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.07 2k4a s THR 62 CO 0.81 0.00 0.99 0.18 -2.21 0.00 0.00 174.62 174.39 2k4a n LEU 63 N 1.54 1.60 -2.69 9.08 4.77 -1.26 -3.93 117.00 126.12 2k4a n LEU 63 Ca -0.15 -2.01 -0.05 0.00 -0.03 0.00 0.00 56.01 53.76 2k4a n LEU 63 Cb 0.56 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.57 2k4a n LEU 63 CO 0.14 0.48 0.57 -3.20 -1.33 0.00 0.00 177.39 174.05 2k4a n ASN 64 N -0.72 -1.61 -4.87 -1.43 5.15 -1.26 -1.52 115.26 109.00 2k4a n ASN 64 Ca 0.06 -2.37 -0.35 0.00 -0.60 0.00 0.00 54.58 51.32 2k4a n ASN 64 Cb 0.49 1.28 -0.05 0.00 -0.53 0.00 0.00 39.78 40.96 2k4a n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k4a s PRO 65 N 0.13 3.72 0.15 1.20 0.04 -1.26 -4.96 135.00 134.02 2k4a s PRO 65 Ca 0.17 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.34 2k4a s PRO 65 Cb 0.26 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 2k4a s PRO 65 CO -0.10 0.59 0.28 0.14 0.04 0.00 0.00 177.00 177.95 2k4a s VAL 66 N -1.37 5.33 0.00 -0.36 -7.23 -1.26 -3.97 120.40 111.54 2k4a s VAL 66 Ca 0.31 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 2k4a s VAL 66 Cb -0.14 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.06 2k4a s VAL 66 CO 0.18 -0.09 0.00 0.33 -0.31 0.00 0.00 175.10 175.21 2k4a n PHE 67 N -0.53 -0.37 -3.13 2.82 -0.00 -0.90 -5.03 117.46 110.32 2k4a n PHE 67 Ca -0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.22 2k4a n PHE 67 Cb 0.54 0.09 0.05 0.00 -0.00 0.00 0.00 39.48 40.16 2k4a n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k4a n ASN 68 N -1.68 -4.89 -4.78 -2.13 5.15 -1.00 -4.99 115.26 100.93 2k4a n ASN 68 Ca 0.00 -0.32 -0.33 0.00 -0.60 0.00 0.00 54.58 53.33 2k4a n ASN 68 Cb 0.00 -3.55 0.04 0.00 -0.53 0.00 0.00 39.78 35.74 2k4a n ASN 68 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2k4a s GLU 69 N -5.76 2.96 -0.10 1.20 2.12 -1.08 -4.78 118.70 113.25 2k4a s GLU 69 Ca 0.35 1.28 0.03 0.00 0.36 0.00 0.00 54.97 57.00 2k4a s GLU 69 Cb -0.16 -1.98 -0.01 0.00 0.26 0.00 0.00 34.13 32.25 2k4a s GLU 69 CO 0.44 -1.11 -0.21 -1.14 -0.54 0.00 0.00 175.26 172.70 2k4a s GLN 70 N -4.20 3.11 -0.22 4.30 -0.44 -1.26 -2.05 119.66 118.90 2k4a s GLN 70 Ca 0.65 -0.82 -0.07 0.00 -2.50 0.00 0.00 55.36 52.62 2k4a s GLN 70 Cb -0.18 -2.39 -0.03 0.00 -1.64 0.00 0.00 33.01 28.76 2k4a s GLN 70 CO 0.42 0.21 0.06 0.12 0.50 0.00 0.00 175.29 176.60 2k4a s PHE 71 N 0.29 3.13 -0.94 1.67 5.36 0.40 -4.96 117.98 122.94 2k4a s PHE 71 Ca -0.15 -0.23 -0.20 0.00 -0.96 0.00 0.00 56.93 55.39 2k4a s PHE 71 Cb -0.17 -2.17 0.10 0.00 -0.34 0.00 0.00 43.02 40.44 2k4a s PHE 71 CO 0.08 -0.16 1.22 0.99 -1.46 0.00 0.00 175.22 175.89 2k4a s THR 72 N 1.10 4.43 -1.08 0.12 2.01 -1.26 -0.31 115.64 120.65 2k4a s THR 72 Ca 0.04 -1.21 -0.21 0.00 0.31 0.00 0.00 61.69 60.63 2k4a s THR 72 Cb -0.14 -4.86 -0.08 0.00 0.01 0.00 0.00 72.50 67.42 2k4a s THR 72 CO 0.03 -1.65 1.93 0.33 -0.69 0.00 0.00 174.62 174.58 2k4a n PHE 73 N 7.41 2.78 -1.62 4.92 -0.00 0.17 -4.87 117.46 126.25 2k4a n PHE 73 Ca 0.25 -1.95 -0.15 0.00 -0.00 0.00 0.00 57.45 55.60 2k4a n PHE 73 Cb 0.49 -2.28 -0.09 0.00 -0.00 0.00 0.00 39.48 37.60 2k4a n PHE 73 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2k4a s LYS 74 N 5.27 1.48 -0.29 -4.13 -0.14 -1.26 -0.32 119.74 120.34 2k4a s LYS 74 Ca 0.60 0.02 -0.13 0.00 -1.36 0.00 0.00 55.97 55.11 2k4a s LYS 74 Cb 0.07 -4.89 0.11 0.00 -1.68 0.00 0.00 37.83 31.44 2k4a s LYS 74 CO 0.10 -4.85 0.68 0.54 -0.76 0.00 0.00 175.35 171.06 2k4a s VAL 75 N 15.46 -0.52 0.17 3.17 0.11 -1.15 -4.77 120.40 132.86 2k4a s VAL 75 Ca 0.86 0.00 -0.34 0.00 -2.93 0.00 0.00 61.98 59.58 2k4a s VAL 75 Cb -0.09 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 33.62 2k4a s VAL 75 CO 0.12 0.00 1.55 -2.65 -3.33 0.00 0.00 175.10 170.79 2k4a n PRO 76 N 4.91 2.11 -0.29 1.54 -0.02 -0.99 -3.60 135.00 138.65 2k4a n PRO 76 Ca -0.16 0.76 0.29 0.00 -2.02 0.00 0.00 63.50 62.37 2k4a n PRO 76 Cb 0.54 -2.51 0.65 0.00 -0.02 0.00 0.00 33.50 32.15 2k4a n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k4a h TYR 77 N 5.69 0.26 0.00 6.00 -0.00 -1.90 0.95 116.97 127.97 2k4a h TYR 77 Ca -0.45 0.01 -0.03 0.00 0.00 0.00 0.00 58.73 58.26 2k4a h TYR 77 Cb 1.26 -0.08 -0.00 0.00 0.00 0.00 0.00 36.73 37.91 2k4a h TYR 77 CO 0.62 0.03 -0.15 0.77 -0.00 0.00 0.00 178.16 179.43 2k4a h SER 78 N 0.16 0.00 1.31 0.10 0.02 -1.97 -2.09 113.55 111.08 2k4a h SER 78 Ca 0.55 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.46 2k4a h SER 78 Cb 1.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.38 2k4a h SER 78 CO -0.12 0.15 -0.71 -0.33 -1.14 0.00 0.00 176.83 174.68 2k4a h GLU 79 N 0.00 0.00 -1.05 3.45 5.08 0.58 -3.35 114.58 119.28 2k4a h GLU 79 Ca -0.00 0.00 0.37 0.00 -1.00 0.00 0.00 59.36 58.73 2k4a h GLU 79 Cb 0.27 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.36 2k4a h GLU 79 CO 0.02 0.10 0.61 1.25 -1.00 0.00 0.00 179.01 179.99 2k4a h LEU 80 N 0.00 0.41 -1.97 1.33 6.46 -0.83 0.46 115.31 121.18 2k4a h LEU 80 Ca -0.02 0.20 0.22 0.00 -0.12 0.00 0.00 57.88 58.15 2k4a h LEU 80 Cb 1.13 0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.20 2k4a h LEU 80 CO 0.01 -0.23 0.59 1.23 -0.62 0.00 0.00 178.44 179.43 2k4a h GLY 81 N 0.19 0.00 -1.17 3.75 0.00 -1.73 0.28 103.07 104.39 2k4a h GLY 81 Ca 0.78 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 48.06 2k4a h GLY 81 CO -0.62 0.00 -0.08 0.61 0.00 0.00 0.00 176.54 176.45 2k4a n GLY 82 N -1.65 4.64 3.28 4.60 0.00 0.16 -4.39 105.19 111.82 2k4a n GLY 82 Ca 0.15 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 2k4a n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4a s LYS 83 N -3.00 2.19 -0.14 1.61 3.01 0.06 -4.97 119.74 118.50 2k4a s LYS 83 Ca 0.39 -0.89 -0.00 0.00 -1.01 0.00 0.00 55.97 54.47 2k4a s LYS 83 Cb 0.34 -2.01 -0.01 0.00 -1.01 0.00 0.00 37.83 35.14 2k4a s LYS 83 CO 0.03 0.47 -0.13 0.99 0.51 0.00 0.00 175.35 177.22 2k4a s THR 84 N -0.42 3.01 -0.07 2.17 2.01 -1.26 -0.77 115.64 120.31 2k4a s THR 84 Ca 0.05 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.12 2k4a s THR 84 Cb -0.11 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 2k4a s THR 84 CO 0.01 0.52 0.81 -0.22 -0.69 0.00 0.00 174.62 175.04 2k4a s LEU 85 N 0.47 4.30 -0.05 4.42 2.96 0.20 -3.42 118.68 127.56 2k4a s LEU 85 Ca -0.09 1.32 -0.02 0.00 -0.22 0.00 0.00 54.13 55.12 2k4a s LEU 85 Cb -0.16 -3.26 0.03 0.00 0.50 0.00 0.00 46.19 43.31 2k4a s LEU 85 CO 0.04 -0.22 0.05 0.68 -1.32 0.00 0.00 176.35 175.58 2k4a s VAL 86 N 1.16 -0.00 -0.04 1.68 -7.23 -1.15 0.64 120.40 115.46 2k4a s VAL 86 Ca 0.42 0.34 0.03 0.00 -1.81 0.00 0.00 61.98 60.96 2k4a s VAL 86 Cb -0.18 -0.25 0.00 0.00 0.56 0.00 0.00 36.38 36.51 2k4a s VAL 86 CO 0.20 0.18 -0.13 -0.32 -0.31 0.00 0.00 175.10 174.71 2k4a s MET 87 N 2.12 1.45 -0.00 4.82 0.00 0.13 0.66 119.30 128.49 2k4a s MET 87 Ca 0.05 -0.46 0.06 0.00 0.00 0.00 0.00 55.69 55.34 2k4a s MET 87 Cb -0.12 -1.28 -0.02 0.00 0.00 0.00 0.00 34.83 33.41 2k4a s MET 87 CO -0.04 0.16 -0.19 0.00 0.00 0.00 0.00 175.02 174.95 2k4a s ALA 88 N 0.19 1.60 -0.51 4.11 0.00 -0.09 0.73 121.76 127.80 2k4a s ALA 88 Ca -0.05 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 50.86 2k4a s ALA 88 Cb -0.11 -0.38 0.07 0.00 0.00 0.00 0.00 23.12 22.69 2k4a s ALA 88 CO 0.02 0.38 0.58 0.54 0.00 0.00 0.00 175.76 177.28 2k4a s VAL 89 N -0.53 4.95 0.20 0.00 0.11 0.18 0.17 120.40 125.48 2k4a s VAL 89 Ca 0.07 -0.66 -0.20 0.00 -2.93 0.00 0.00 61.98 58.26 2k4a s VAL 89 Cb -0.08 -4.28 -0.08 0.00 -1.53 0.00 0.00 36.38 30.42 2k4a s VAL 89 CO -0.00 -0.78 0.70 -0.47 -3.33 0.00 0.00 175.10 171.22 2k4a s TYR 90 N 2.42 3.68 0.30 1.54 5.04 0.24 -2.84 117.35 127.73 2k4a s TYR 90 Ca 0.12 1.37 0.01 0.00 -2.44 0.00 0.00 57.07 56.14 2k4a s TYR 90 Cb -0.21 -2.60 -0.03 0.00 0.35 0.00 0.00 41.96 39.47 2k4a s TYR 90 CO 0.10 0.38 0.48 0.34 -1.34 0.00 0.00 175.55 175.52 2k4a s ASP 91 N -1.57 6.32 -0.36 4.32 2.15 -0.27 0.12 116.67 127.38 2k4a s ASP 91 Ca 0.41 0.36 0.14 0.00 0.43 0.00 0.00 52.55 53.89 2k4a s ASP 91 Cb -0.17 -1.99 0.43 0.00 -0.30 0.00 0.00 42.92 40.88 2k4a s ASP 91 CO 0.21 -0.21 0.93 0.33 -0.17 0.00 0.00 175.17 176.26 2k4a n PHE 92 N -1.53 1.41 -0.36 -5.34 7.35 -0.13 -4.41 117.46 114.46 2k4a n PHE 92 Ca -0.06 -3.11 0.30 0.00 -0.76 0.00 0.00 57.45 53.82 2k4a n PHE 92 Cb 0.56 -0.35 0.56 0.00 0.35 0.00 0.00 39.48 40.60 2k4a n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k4a h ASP 93 N 2.94 0.38 -0.75 -2.13 2.03 -1.90 -3.42 116.42 113.56 2k4a h ASP 93 Ca 0.01 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 2k4a h ASP 93 Cb 1.07 0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 2k4a h ASP 93 CO 0.57 -0.22 0.00 0.54 -1.03 0.00 0.00 179.24 179.09 2k4a n ARG 94 N -4.99 0.00 0.21 4.15 1.74 -1.26 -4.88 116.66 111.63 2k4a n ARG 94 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2k4a n ARG 94 Cb 1.19 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 2k4a n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k4a n PHE 95 N -2.72 -4.46 -2.26 -1.55 -0.00 -1.26 -5.15 117.46 100.06 2k4a n PHE 95 Ca 0.00 1.43 -0.27 0.00 -0.00 0.00 0.00 57.45 58.61 2k4a n PHE 95 Cb 0.48 3.62 0.16 0.00 -0.00 0.00 0.00 39.48 43.74 2k4a n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 2k4a s SER 96 N -1.90 3.54 -0.75 -2.13 0.01 -1.26 -4.92 113.70 106.29 2k4a s SER 96 Ca 0.00 -0.12 -0.26 0.00 1.31 0.00 0.00 55.95 56.88 2k4a s SER 96 Cb 0.00 -0.01 -0.08 0.00 0.21 0.00 0.00 66.02 66.14 2k4a s SER 96 CO 0.00 -2.43 2.16 -0.54 0.41 0.00 0.00 173.24 172.85 2k4a s LYS 97 N -5.57 2.16 -0.48 12.44 -0.14 -1.26 -4.86 119.74 122.04 2k4a s LYS 97 Ca 0.72 0.38 -0.45 0.00 -1.36 0.00 0.00 55.97 55.26 2k4a s LYS 97 Cb -0.03 -4.79 -0.19 0.00 -1.68 0.00 0.00 37.83 31.14 2k4a s LYS 97 CO 0.49 -3.64 1.53 0.72 -0.76 0.00 0.00 175.35 173.70 2k4a n HIS 98 N 15.72 1.68 -3.54 3.18 8.25 -1.26 -4.92 115.22 134.33 2k4a n HIS 98 Ca 0.39 1.10 -0.18 0.00 -0.26 0.00 0.00 57.72 58.77 2k4a n HIS 98 Cb 0.48 -2.14 0.02 0.00 1.12 0.00 0.00 29.99 29.47 2k4a n HIS 98 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2k4a n ASP 99 N 3.82 2.12 -4.16 0.41 -0.08 -1.26 -4.90 116.55 112.50 2k4a n ASP 99 Ca 0.30 -2.37 -0.38 0.00 -1.51 0.00 0.00 54.79 50.83 2k4a n ASP 99 Cb -0.06 -0.13 -0.11 0.00 2.34 0.00 0.00 41.12 43.17 2k4a n ASP 99 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2k4a s ILE 100 N -2.00 3.61 0.54 5.18 1.01 -1.26 -1.11 121.20 127.17 2k4a s ILE 100 Ca 0.32 -1.89 0.20 0.00 0.00 0.00 0.00 60.65 59.28 2k4a s ILE 100 Cb -0.03 -3.40 0.30 0.00 0.01 0.00 0.00 42.46 39.34 2k4a s ILE 100 CO 0.20 -0.67 2.16 0.16 0.00 0.00 0.00 174.94 176.79 2k4a h ILE 101 N 6.28 0.85 0.00 2.92 -2.65 -1.88 -3.42 117.51 119.61 2k4a h ILE 101 Ca -0.16 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.73 2k4a h ILE 101 Cb 1.06 0.97 0.00 0.00 -2.05 0.00 0.00 36.82 36.80 2k4a h ILE 101 CO 0.74 0.00 0.00 0.61 0.03 0.00 0.00 178.15 179.53 2k4a n GLY 102 N -1.50 -0.42 3.83 0.16 0.00 -1.23 -4.21 105.19 101.82 2k4a n GLY 102 Ca -0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 2k4a n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4a s GLU 103 N -2.00 1.57 0.06 1.61 -1.05 0.33 0.48 118.70 119.70 2k4a s GLU 103 Ca 0.00 -0.96 -0.19 0.00 -0.15 0.00 0.00 54.97 53.66 2k4a s GLU 103 Cb 0.00 0.47 0.04 0.00 -0.44 0.00 0.00 34.13 34.20 2k4a s GLU 103 CO 0.00 -0.73 0.45 -0.59 0.95 0.00 0.00 175.26 175.34 2k4a s PHE 104 N -2.68 -0.32 0.10 4.83 -0.71 0.22 -1.51 117.98 117.91 2k4a s PHE 104 Ca 0.17 0.27 -0.13 0.00 -1.04 0.00 0.00 56.93 56.19 2k4a s PHE 104 Cb -0.03 0.28 0.02 0.00 -1.21 0.00 0.00 43.02 42.08 2k4a s PHE 104 CO 0.06 -0.62 0.32 -1.59 -1.34 0.00 0.00 175.22 172.05 2k4a s LYS 105 N -2.68 0.95 -0.28 1.99 0.00 -1.26 0.22 119.74 118.68 2k4a s LYS 105 Ca -0.04 -0.73 -0.22 0.00 0.00 0.00 0.00 55.97 54.98 2k4a s LYS 105 Cb -0.00 0.41 0.08 0.00 0.00 0.00 0.00 37.83 38.31 2k4a s LYS 105 CO -0.04 -0.34 0.75 0.54 0.00 0.00 0.00 175.35 176.26 2k4a s VAL 106 N -3.54 0.00 -0.22 1.79 0.11 0.21 -4.97 120.40 113.77 2k4a s VAL 106 Ca 0.02 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.78 2k4a s VAL 106 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2k4a s VAL 106 CO -0.10 0.00 1.65 -2.84 -3.33 0.00 0.00 175.10 170.48 2k4a s PRO 107 N 0.83 3.76 0.21 1.54 0.02 -1.26 0.59 135.00 140.68 2k4a s PRO 107 Ca -0.03 1.67 -0.10 0.00 0.02 0.00 0.00 61.00 62.56 2k4a s PRO 107 Cb -0.05 -4.06 0.30 0.00 0.02 0.00 0.00 34.50 30.71 2k4a s PRO 107 CO -0.07 -1.34 1.69 0.52 -0.33 0.00 0.00 177.00 177.46 2k4a h MET 108 N 10.96 0.19 -1.08 5.54 2.86 -1.16 0.13 114.93 132.37 2k4a h MET 108 Ca -0.34 -0.01 0.30 0.00 -2.06 0.00 0.00 59.70 57.59 2k4a h MET 108 Cb 1.16 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.72 2k4a h MET 108 CO 1.00 0.12 0.76 -0.97 1.06 0.00 0.00 176.91 178.88 2k4a h ASN 109 N 0.19 0.10 0.51 1.22 -1.24 -1.61 0.56 115.58 115.31 2k4a h ASN 109 Ca 0.32 0.02 -0.15 0.00 0.71 0.00 0.00 56.30 57.20 2k4a h ASN 109 Cb 0.50 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 2k4a h ASN 109 CO -0.46 0.02 -0.65 0.74 -1.29 0.00 0.00 177.43 175.79 2k4a h THR 110 N 0.09 1.43 -3.02 -3.57 2.02 -1.08 -3.38 112.91 105.40 2k4a h THR 110 Ca 0.53 -2.16 -0.74 0.00 0.77 0.00 0.00 66.41 64.82 2k4a h THR 110 Cb 1.95 2.14 -0.22 0.00 -1.74 0.00 0.00 68.15 70.28 2k4a h THR 110 CO -0.07 0.63 0.56 -0.69 0.37 0.00 0.00 175.52 176.32 2k4a s VAL 111 N -3.60 5.18 -0.13 3.16 1.01 0.20 -5.00 120.40 121.21 2k4a s VAL 111 Ca -0.03 -2.13 -0.29 0.00 0.00 0.00 0.00 61.98 59.54 2k4a s VAL 111 Cb 0.12 -4.66 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 2k4a s VAL 111 CO 0.79 -1.31 2.00 1.51 0.00 0.00 0.00 175.10 178.09 2k4a s ASP 112 N 2.85 6.00 -0.60 3.32 -4.77 -1.26 -4.84 116.67 117.36 2k4a s ASP 112 Ca 0.28 2.10 -0.19 0.00 -3.30 0.00 0.00 52.55 51.44 2k4a s ASP 112 Cb -0.07 -2.52 -0.16 0.00 -1.09 0.00 0.00 42.92 39.07 2k4a s ASP 112 CO -0.08 -1.50 1.83 2.22 0.70 0.00 0.00 175.17 178.34 2k4a n PHE 113 N 9.55 1.30 -0.04 2.11 -1.74 -1.26 -4.58 117.46 122.79 2k4a n PHE 113 Ca 0.24 -1.51 -0.14 0.00 -0.56 0.00 0.00 57.45 55.48 2k4a n PHE 113 Cb 0.44 -1.45 -0.08 0.00 1.52 0.00 0.00 39.48 39.91 2k4a n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k4a h GLY 114 N 13.20 0.37 0.00 4.97 0.00 -2.02 -3.47 103.07 116.12 2k4a h GLY 114 Ca 0.38 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2k4a h GLY 114 CO 1.81 0.38 0.00 1.42 0.00 0.00 0.00 176.54 180.15 2k4a n HIS 115 N -4.52 -2.14 -3.99 5.60 8.25 -1.26 -5.14 115.22 112.02 2k4a n HIS 115 Ca -0.07 0.31 -0.09 0.00 -0.26 0.00 0.00 57.72 57.61 2k4a n HIS 115 Cb 0.41 1.09 -0.08 0.00 1.12 0.00 0.00 29.99 32.53 2k4a n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k4a s VAL 116 N -1.26 0.12 -0.55 1.59 -7.23 -1.26 -4.24 120.40 107.56 2k4a s VAL 116 Ca 0.00 -1.49 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 2k4a s VAL 116 Cb 0.00 -1.69 0.15 0.00 0.56 0.00 0.00 36.38 35.40 2k4a s VAL 116 CO 0.00 -0.54 0.36 -0.89 -0.31 0.00 0.00 175.10 173.72 2k4a s THR 117 N -3.95 2.06 -0.26 5.32 2.01 0.36 -4.94 115.64 116.23 2k4a s THR 117 Ca 0.13 -3.39 -0.05 0.00 0.31 0.00 0.00 61.69 58.69 2k4a s THR 117 Cb 0.05 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 70.17 2k4a s THR 117 CO -0.04 -0.97 0.03 -1.61 -0.69 0.00 0.00 174.62 171.33 2k4a s GLU 118 N -0.52 3.22 0.32 4.92 2.02 -1.26 0.14 118.70 127.54 2k4a s GLU 118 Ca 0.23 -0.75 -0.18 0.00 0.02 0.00 0.00 54.97 54.28 2k4a s GLU 118 Cb -0.13 -3.22 0.06 0.00 0.10 0.00 0.00 34.13 30.94 2k4a s GLU 118 CO -0.09 -0.33 0.87 -1.83 0.02 0.00 0.00 175.26 173.89 2k4a s GLU 119 N 1.49 1.93 -0.65 1.61 -1.05 -0.75 -5.00 118.70 116.29 2k4a s GLU 119 Ca 0.04 -1.23 -0.11 0.00 -0.15 0.00 0.00 54.97 53.51 2k4a s GLU 119 Cb -0.16 0.54 0.17 0.00 -0.44 0.00 0.00 34.13 34.24 2k4a s GLU 119 CO 0.00 -0.90 0.55 -1.58 0.95 0.00 0.00 175.26 174.28 2k4a s TRP 120 N -2.34 3.52 0.22 4.83 0.23 -1.26 -2.71 118.94 121.43 2k4a s TRP 120 Ca 0.17 -1.95 -0.30 0.00 -2.03 0.00 0.00 56.10 51.99 2k4a s TRP 120 Cb -0.04 -3.63 -0.09 0.00 0.03 0.00 0.00 33.47 29.75 2k4a s TRP 120 CO 0.09 -0.97 1.06 0.50 0.96 0.00 0.00 176.95 178.59 2k4a s ARG 121 N 0.71 4.67 0.49 4.98 6.06 0.46 -4.87 118.95 131.45 2k4a s ARG 121 Ca 0.12 1.69 -0.19 0.00 -2.50 0.00 0.00 55.73 54.84 2k4a s ARG 121 Cb -0.20 -3.25 -0.08 0.00 0.06 0.00 0.00 34.95 31.48 2k4a s ARG 121 CO -0.04 0.23 1.01 0.16 -2.50 0.00 0.00 175.30 174.16 2k4a s ASP 122 N -0.61 6.45 -0.01 -2.12 -4.77 -1.26 0.10 116.67 114.45 2k4a s ASP 122 Ca 0.46 1.80 0.06 0.00 -3.30 0.00 0.00 52.55 51.57 2k4a s ASP 122 Cb -0.29 -2.54 -0.02 0.00 -1.09 0.00 0.00 42.92 38.98 2k4a s ASP 122 CO 0.36 -0.71 -0.20 -0.76 0.70 0.00 0.00 175.17 174.56 2k4a s LEU 123 N -3.64 2.06 0.04 2.11 1.43 -0.95 -4.67 118.68 115.06 2k4a s LEU 123 Ca 0.64 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 2k4a s LEU 123 Cb -0.14 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 2k4a s LEU 123 CO 0.22 0.23 -0.09 0.00 0.23 0.00 0.00 176.35 176.95 2k4a s GLN 124 N -0.58 0.59 -0.88 1.70 -2.07 -0.57 -1.14 119.66 116.72 2k4a s GLN 124 Ca 0.08 -0.68 -0.23 0.00 -1.82 0.00 0.00 55.36 52.71 2k4a s GLN 124 Cb -0.08 -0.45 0.07 0.00 -1.09 0.00 0.00 33.01 31.46 2k4a s GLN 124 CO -0.00 0.10 1.25 -1.54 -1.32 0.00 0.00 175.29 173.77 2k4a s SER 125 N -1.30 6.41 -0.56 12.60 1.04 -1.25 0.12 113.70 130.76 2k4a s SER 125 Ca -0.06 -1.33 -0.28 0.00 0.48 0.00 0.00 55.95 54.77 2k4a s SER 125 Cb -0.08 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.56 2k4a s SER 125 CO 0.01 -1.45 1.30 0.00 0.98 0.00 0.00 173.24 174.08 2k4a s ALA 126 N 4.39 2.91 -0.67 5.32 0.00 -1.26 -4.60 121.76 127.85 2k4a s ALA 126 Ca 0.36 -0.73 -0.26 0.00 0.00 0.00 0.00 51.96 51.33 2k4a s ALA 126 Cb -0.06 -4.06 -0.11 0.00 0.00 0.00 0.00 23.12 18.89 2k4a s ALA 126 CO -0.02 -2.77 2.42 -1.21 0.00 0.00 0.00 175.76 174.18 2k4a s GLU 127 N 5.20 1.79 0.00 0.00 2.02 -1.26 -4.83 118.70 121.62 2k4a s GLU 127 Ca 0.48 0.87 0.28 0.00 0.02 0.00 0.00 54.97 56.62 2k4a s GLU 127 Cb -0.09 -4.70 1.04 0.00 0.10 0.00 0.00 34.13 30.47 2k4a s GLU 127 CO 0.25 -3.99 1.74 1.63 0.02 0.00 0.00 175.26 174.91